4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene

C24H20F6O4 — CID 139691715

IUPAC4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene
SMILESFc1ccc(COCC(COc2ccc(OC(F)F)cc2)C(F)(F)F)cc1Oc1ccccc1
InChIInChI=1S/C24H20F6O4/c25-21-11-6-16(12-22(21)33-19-4-2-1-3-5-19)13-31-14-17(24(28,29)30)15-32-18-7-9-20(10-8-18)34-23(26)27/h1-12,17,23H,13-15H2
InChIKeySDSSNCGEFFORQT-UHFFFAOYSA-N
MW486.41 g/mol
LogP6.99
Rot. Bonds11

About 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene

4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene (PubChem CID 139691715) has the molecular formula C24H20F6O4 and a molecular weight of 486.41 g/mol. Its IUPAC name is 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene.

Molecular Properties

Compound Name4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene
PubChem CID139691715
Molecular FormulaC24H20F6O4
Molecular Weight486.41 g/mol
Exact Mass486.13
IUPAC Name4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene
SMILESFc1ccc(COCC(COc2ccc(OC(F)F)cc2)C(F)(F)F)cc1Oc1ccccc1
InChIInChI=1S/C24H20F6O4/c25-21-11-6-16(12-22(21)33-19-4-2-1-3-5-19)13-31-14-17(24(28,29)30)15-32-18-7-9-20(10-8-18)34-23(26)27/h1-12,17,23H,13-15H2
InChIKeySDSSNCGEFFORQT-UHFFFAOYSA-N
XLogP6.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.41
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene with MolForge

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Related Compounds

1-fluoro-4-[[2-methyl-2-[4-(2-methylpropoxy)phenyl]propoxy]methyl]-2-phenoxybenzene
CID 15582667
4-[[2-[4-(difluoromethoxy)phenyl]-2,3-dimethylbutoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 23313970
4-[[2-(4-ethoxyphenyl)-2-methylpropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 15582662
5-[3,3,3-trifluoro-2-[(3-phenoxyphenyl)methoxymethyl]propoxy]-2,3-dihydro-1H-indene
CID 14500179
2-(4-chlorophenoxy)-4-[[3-(4-chlorophenoxy)-4-fluorophenyl]methoxymethyl]-1-fluorobenzene
CID 139679017
1-fluoro-4-[[2-methyl-2-[4-(trifluoromethoxy)phenyl]propoxy]methyl]-2-phenoxybenzene
CID 14155770
4-[[2-(4-ethoxyphenyl)-3,3,3-trifluoro-2-methoxypropoxy]methyl]-1-fluoro-2-phenoxybenzene
CID 14516985
4-[4-[4-(difluoromethoxy)phenyl]hex-5-ynyl]-1-fluoro-2-phenoxybenzene
CID 88645604
4-[4-[4-(difluoromethoxy)phenyl]hex-5-enyl]-1-fluoro-2-phenoxybenzene
CID 70412122
4-[4-[4-(difluoromethoxy)phenyl]-4-ethylhex-5-ynyl]-1-fluoro-2-phenoxybenzene
CID 88645525
2-(4-bromophenyl)-1,1,1-trifluoro-3-[(4-fluoro-3-phenoxyphenyl)methoxy]propan-2-ol
CID 14516951
1-fluoro-4-[[2-(4-iodophenyl)-2-methylpropoxy]methyl]-2-phenoxybenzene
CID 15582674

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The IUPAC name of 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene (CID 139691715) is 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene.
What is the SMILES notation for 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The canonical SMILES for 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene is Fc1ccc(COCC(COc2ccc(OC(F)F)cc2)C(F)(F)F)cc1Oc1ccccc1.
What is the InChIKey of 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene?
The InChIKey is SDSSNCGEFFORQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F6O4/c25-21-11-6-16(12-22(21)33-19-4-2-1-3-5-19)13-31-14-17(24(28,29)30)15-32-18-7-9-20(10-8-18)34-23(26)27/h1-12,17,23H,13-15H2.
What are the key properties of 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene?
4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene has a molecular weight of 486.41 g/mol, XLogP of 6.99, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[[4-(difluoromethoxy)phenoxy]methyl]-3,3,3-trifluoropropoxy]methyl]-1-fluoro-2-phenoxybenzene is sourced from PubChem (CID 139691715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).